N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide

C22H22N2O4 — CID 4938673

IUPACN'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4/c1-2-14-27-18-12-10-17(11-13-18)22(26)24-23-21(25)15-28-20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyRYEUVXYYCFYRQV-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.47
Rot. Bonds7

About N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide

N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide (PubChem CID 4938673) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
PubChem CID4938673
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O4/c1-2-14-27-18-12-10-17(11-13-18)22(26)24-23-21(25)15-28-20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyRYEUVXYYCFYRQV-UHFFFAOYSA-N
XLogP3.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
N'-[2-(2-methoxyphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952895
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
N'-(2-naphthalen-1-yloxyacetyl)-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502710

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide?
The IUPAC name of N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide (CID 4938673) is N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide?
The canonical SMILES for N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1.
What is the InChIKey of N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide?
The InChIKey is RYEUVXYYCFYRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-14-27-18-12-10-17(11-13-18)22(26)24-23-21(25)15-28-20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide?
N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide has a molecular weight of 378.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide is sourced from PubChem (CID 4938673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).